SCHEMBL20573113

SCHEMBL20573113

CCCC1(C(C(=O)OC)C(=O)OC)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CETP P11597 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PTGIR P43119 2/20 0.31
PTGER2 P43116 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16732103 0.85 CA1 (0.37) CA1CA2CYP4F2CYP4A11CETP
SCHEMBL13980755 0.80 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL20572978 0.79 CHRM1 (0.33) CA2CETPPTGIR
SCHEMBL4687488 0.76 CYP3A4 (0.34) CA1CA2CYP4F2CYP4A11NPSR1
SCHEMBL1505478 0.76 CA1 (0.36) CA1CA2ZDHHC7SMN1; SMN2ALDH1A1
SCHEMBL16732049 0.69 ALDH1A1 (0.36) NPSR1SMN1; SMN2ALDH1A1
SCHEMBL10869871 0.69 CYP4F2 (0.34) CA1CA2CYP4F2CYP4A11CETP
SCHEMBL7207409 0.68 NPSR1 (0.36) CYP4F2CYP4A11CETPNPSR1SMN1; SMN2
SCHEMBL12133355 0.66
SCHEMBL7745402 0.64 DPP4 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473518-B Bisphosphonic acid compounds 株式会社富士药品 2021-07-06 CN disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 CA1 396/4885CA2 20/4885CYP4F2 2578/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 CA1 416/4885CA2 24/4885CYP4F2 2696/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.